ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate

C19H17FN2O4S — CID 162671581

IUPACethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H17FN2O4S/c1-2-26-19(23)14-11-18(13-3-5-15(20)6-4-13)22(12-14)16-7-9-17(10-8-16)27(21,24)25/h3-12H,2H2,1H3,(H2,21,24,25)
InChIKeyJQCQWHVHMJNYAB-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.11
Rot. Bonds5

About ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate

ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate (PubChem CID 162671581) has the molecular formula C19H17FN2O4S and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
PubChem CID162671581
Molecular FormulaC19H17FN2O4S
Molecular Weight388.42 g/mol
Exact Mass388.09
IUPAC Nameethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C19H17FN2O4S/c1-2-26-19(23)14-11-18(13-3-5-15(20)6-4-13)22(12-14)16-7-9-17(10-8-16)27(21,24)25/h3-12H,2H2,1H3,(H2,21,24,25)
InChIKeyJQCQWHVHMJNYAB-UHFFFAOYSA-N
XLogP3.11
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 1-(benzenesulfonyl)-1H-indole-3-carboxylate
CID 3829008
1H-Indole-3-carboxylic acid, 5-((diethylamino)sulfonyl)-1-methyl-
CID 663444
Ethyl 4-[(4-tert-butylphenyl)sulfamoyl]-2-methyl-1,5-diphenylpyrrole-3-carboxylate
CID 2742844
Ethyl 4-[(3-fluoro-4-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927325
Ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 20927335
Methyl 3-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxylate
CID 76325547
Ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162646622
Ethyl 5-(4-fluorophenyl)-1-(4-iodophenyl)pyrrole-3-carboxylate
CID 162661198
Ethyl 5-(4-fluorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162663150
Ethyl 5-(4-methoxyphenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162674771
Ethyl 5-(4-Chlorophenyl)-2-methyl-1-(4-sulfamoylphenyl)-1H-pyrrole-3-carboxylate
CID 24894221
ethyl 5-(4-bromophenyl)-2-methyl-1-(4-sulfamoylphenyl)-1H-pyrrole-3-carboxylate
CID 24895703

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate (CID 162671581) is ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
The InChIKey is JQCQWHVHMJNYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4S/c1-2-26-19(23)14-11-18(13-3-5-15(20)6-4-13)22(12-14)16-7-9-17(10-8-16)27(21,24)25/h3-12H,2H2,1H3,(H2,21,24,25).
What are the key properties of ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate?
ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(4-fluorophenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate is sourced from PubChem (CID 162671581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).